CID 4192661

863377-22-4

Structural Information

Molecular Formula

C₁₀H₁₄BNO₃

SMILES

B(C1=CC(=CC=C1)N2CCOCC2)(O)O

InChI

InChI=1S/C10H14BNO3/c13-11(14)9-2-1-3-10(8-9)12-4-6-15-7-5-12/h1-3,8,13-14H,4-7H2

InChIKey

OHGOMHOEZUWGOH-UHFFFAOYSA-N

Compound name

(3-morpholin-4-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 293
Patents: 207.10667 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.11395	144.1
[M+Na]+	230.09589	148.8
[M-H]-	206.09939	146.7
[M+NH4]+	225.14049	158.5
[M+K]+	246.06983	147.5
[M+H-H2O]+	190.10393	136.7
[M+HCOO]-	252.10487	159.7
[M+CH3COO]-	266.12052	179.2
[M+Na-2H]-	228.08134	149.0
[M]+	207.10612	139.3
[M]-	207.10722	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe